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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 学科主题：computer science     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents 期刊论文 CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 1 - 收藏  |  浏览/下载：3/0  |  提交时间：2014/12/05 Antimalarial activity  dug design  malaria  molecular design  multiple linear regression (MLR)  1,4-Naphthoquinonyl derivatives  QSAR  radial basis function neural network (RBFNN)   Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2008, 卷号: 22, 期号: 10 - 收藏  |  浏览/下载：2/0  |  提交时间：2014/12/05 3D-QSAR  hepatitis C virus NS5B polymerase  CoMFA  CoMSIA   Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2005, 卷号: 19, 期号: 7 - 收藏  |  浏览/下载：3/0  |  提交时间：2014/12/05 heuristic method  least-squares support vector machines (LS-SVM)  QSAR  tissue/blood partition coefficients   The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2005, 卷号: 19, 期号: 1 - 收藏  |  浏览/下载：2/0  |  提交时间：2014/12/05 heuristic method  human oral absorption  QSPR/QSAR  support vector machine   QSAR and classification models of a novel series of COX-2 selective inhibitors: 1,5-diarylimidazoles based on support vector machines 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2004, 卷号: 18, 期号: 6 - 收藏  |  浏览/下载：4/0  |  提交时间：2014/12/05 classification  COX-2 selective inhibitors  drug design  drug screening  QSAR  SVM   Investigation of point defects in TiAl alloy 会议论文 5th International Conference on Advanced Materials (IUMRS), BEIJING, PEOPLES R CHINA, JUN 13-18, 1999 作者:  Wang, BY;  Wang, TM;  Rong, ZW;  Gao, F;  Gu, Q 收藏  |  浏览/下载：5/0  |  提交时间：2015/07/31 defect configuration  many-body potentials  migration  point defect  TiAl